Exploring the thermochromism of sulfite-embedded polyoxometalate capsules

Ryo Tsunashima, De Liang Long, Toru Endo, Shin Ichiro Noro, Tomoyuki Akutagawa, Takayoshi Nakamura, Raul Quesada Cabrera, Paul F. McMillan, Paul Kögerler, Leroy Cronin

Research output: Contribution to journalArticlepeer-review

19 Citations (Scopus)


The Dawson-type polyanion [α-Mo18O54(SO 3)2]4-, with two SO32- templates embedded inside a polyoxomolybdate(vi) cage, exhibits thermochromism over an exceptionally wide temperature range (∼500 K). The temperature dependence of the cluster structure, established from X-ray crystallography, IR and Raman spectroscopy and DFT calculations, is related to a decreasing HOMO-LUMO gap in the near UV with increasing temperature. We postulate this is due to geometrical changes that affect both the occupied and unoccupied frontier molecular orbitals of this cluster anion.

Original languageEnglish
Pages (from-to)7295-7297
Number of pages3
JournalPhysical Chemistry Chemical Physics
Issue number16
Publication statusPublished - 2011 Apr 28


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